N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C14H24N2O2S — CID 63732186

IUPACN-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-8(7-15)16-19(17,18)14-12(5)10(3)9(2)11(4)13(14)6/h8,16H,7,15H2,1-6H3
InChIKeyPKNILKZAOLSEDL-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.85
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 63732186) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID63732186
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-8(7-15)16-19(17,18)14-12(5)10(3)9(2)11(4)13(14)6/h8,16H,7,15H2,1-6H3
InChIKeyPKNILKZAOLSEDL-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
(2R)-1-amino-2-(sulfamoylamino)propane;hydrochloride
CID 169235178
N-(1,1-dimethoxypropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 3733440
N-[(2R)-1-aminopropan-2-yl]-6-methylpyridine-3-sulfonamide
CID 120712871
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 63732186) is N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NC(C)CN)c(C)c1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is PKNILKZAOLSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-8(7-15)16-19(17,18)14-12(5)10(3)9(2)11(4)13(14)6/h8,16H,7,15H2,1-6H3.
What are the key properties of N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 63732186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).